2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-2-cyclopropyl-propanoic acid

Systemtic Name: 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-2-cyclopropyl-propanoic acid Openeye Name: 2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]-2-cyclopropyl-propanoic acid CAS Name: 2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-2-cyclopropylpropanoic acid IUPAC Name: 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-2-cyclopropylpropanoic acid Traditional Name: 2-[[2-chloro-5-(methylthio)benzoyl]amino]-2-cyclopropyl-propionic acid Formula: C14H16ClNO3S MolecularWeight: 313.79974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C(=O)O)NC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CC(C1CC1)(C(=O)O)NC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C14H16ClNO3S/c1-14(13(18)19,8-3-4-8)16-12(17)10-7-9(20-2)5-6-11(10)15/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,19)